Recovering causal relationships from data is an important problem. Using observational data, one can typically only recover causal graphs up to a Markov equivalence class and additional assumptions or interventional data are needed for complete recovery. In this work, under some standard assumptions, we study causal graph discovery via adaptive interventions with node-dependent interventional costs. For this setting, we show that no algorithm can achieve an approximation guarantee that is asymptotically better than linear in the number of vertices with respect to the verification number; a well-established benchmark for adaptive search algorithms. Motivated by this negative result, we define a new benchmark that captures the worst-case interventional cost for any search algorithm. Furthermore, with respect to this new benchmark, we provide adaptive search algorithms that achieve logarithmic approximations under various settings: atomic, bounded size interventions and generalized cost objectives.

Learning causal relationships between variables is a fundamental task in causal inference and directed acyclic graphs (DAGs) are a popular choice to represent the causal relationships. As one can recover a causal graph only up to its Markov equivalence class from observations, interventions are often used for the recovery task. Interventions are costly in general and it is important to design algorithms that minimize the number of interventions performed. In this work, we study the problem of identifying the smallest set of interventions required to learn the causal relationships between a subset of edges (target edges). Under the assumptions of faithfulness, causal sufficiency, and ideal interventions, we study this problem in two settings: when the underlying ground truth causal graph is known (subset verification) and when it is unknown (subset search). For the subset verification problem, we provide an efficient algorithm to compute a minimum sized interventional set; we further extend these results to bounded size non-atomic interventions and node-dependent interventional costs. For the subset search problem, in the worst case, we show that no algorithm (even with adaptivity or randomization) can achieve an approximation ratio that is asymptotically better than the vertex cover of the target edges when compared with the subset verification number. This result is surprising as there exists a logarithmic approximation algorithm for the search problem when we wish to recover the whole causal graph. To obtain our results, we prove several interesting structural properties of interventional causal graphs that we believe have applications beyond the subset verification/search problems studied here.

We study the problem of sparse tensor principal component analysis: given a tensor $\pmb Y = \pmb W + \lambda x^{\otimes p}$ with $\pmb W \in \otimes^p\mathbb{R}^n$ having i.i.d. Gaussian entries, the goal is to recover the $k$-sparse unit vector $x \in \mathbb{R}^n$. The model captures both sparse PCA (in its Wigner form) and tensor PCA. For the highly sparse regime of $k \leq \sqrt{n}$, we present a family of algorithms that smoothly interpolates between a simple polynomial-time algorithm and the exponential-time exhaustive search algorithm. For any $1 \leq t \leq k$, our algorithms recovers the sparse vector for signal-to-noise ratio $\lambda \geq \tilde{\mathcal{O}} (\sqrt{t} \cdot (k/t)^{p/2})$ in time $\tilde{\mathcal{O}}(n^{p+t})$, capturing the state-of-the-art guarantees for the matrix settings (in both the polynomial-time and sub-exponential time regimes). Our results naturally extend to the case of $r$ distinct $k$-sparse signals with disjoint supports, with guarantees that are independent of the number of spikes. Even in the restricted case of sparse PCA, known algorithms only recover the sparse vectors for $\lambda \geq \tilde{\mathcal{O}}(k \cdot r)$ while our algorithms require $\lambda \geq \tilde{\mathcal{O}}(k)$. Finally, by analyzing the low-degree likelihood ratio, we complement these algorithmic results with rigorous evidence illustrating the trade-offs between signal-to-noise ratio and running time. This lower bound captures the known lower bounds for both sparse PCA and tensor PCA. In this general model, we observe a more intricate three-way trade-off between the number of samples $n$, the sparsity $k$, and the tensor power $p$.

Chemical structure elucidation is a serious bottleneck in analytical chemistry today. We address the problem of identifying an unknown chemical threat given its mass spectrum and its chemical formula, a task which might take well trained chemists several days to complete. Given a chemical formula, there could be over a million possible candidate structures. We take a data driven approach to rank these structures by using neural networks to predict the presence of substructures given the mass spectrum, and matching these substructures to the candidate structures. Empirically, we evaluate our approach on a data set of chemical agents built for unknown chemical threat identification. We show that our substructure classifiers can attain over 90% micro F1-score, and we can find the correct structure among the top 20 candidates in 88% and 71% of test cases for two compound classes.